SCHEMBL8713347

SCHEMBL8713347

O=c1c2cccc3ncc(c(=O)n1CCC1CCN(S(=O)(=O)C(F)(F)F)CC1)n32

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.34
DRD2 P14416 13/20 0.34
HTR2A P28223 13/20 0.34
HTR7 P34969 13/20 0.34
HTR6 P50406 13/20 0.34
USP1 O94782 1/20 0.34
CNR1 P21554 4/20 0.33
CNR2 P34972 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7868743 0.92 KDM4E (0.37) USP1CNR1CNR2
SCHEMBL7870297 0.91 HTR2A (0.33) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL7872413 0.90 HTR7 (0.33) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7871549 0.85 USP1 (0.33) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7863438 0.84 USP1 (0.36) USP1CNR1CNR2
SCHEMBL8716559 0.82 ALDH1A1 (0.35) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL8589168 0.76 HTR7 (0.36) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL7863415 0.76 HTR2A (0.35) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL8716045 0.76 HTR7 (0.35) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL8712933 0.75 ACHE (0.35) HTR1ADRD2HTR2AHTR7HTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826686-A2 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-04 EP disclosed